Sugi Predict

Sugi Predict / Compounds / SCHEMBL9501460

SCHEMBL9501460

SCHEMBL9501460

CC[C@H]1CC[C@H]2[C@@H]3CCC4CC(C(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.62
▸ GRIN1 Q05586 2/20 0.61
▸ GRIN2B Q13224 2/20 0.61
▸ G6PD P11413 6/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ PMP22 Q01453 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ GABRP O00591 2/20 0.47
▸ GABRD O14764 2/20 0.47
▸ GABRA1 P14867 2/20 0.47
▸ GABRB1 P18505 2/20 0.47
▸ GABRG2 P18507 2/20 0.47
▸ GABRB3 P28472 2/20 0.47
▸ GABRA5 P31644 2/20 0.47
▸ GABRA3 P34903 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16802271 0.88 GRIN1 (0.61) SRD5A2GRIN1GRIN2BG6PDCYP3A4
SCHEMBL11774240 0.82 GRIN1 (0.56) SRD5A2GRIN1GRIN2BG6PDCYP3A4
SCHEMBL7413090 0.81 LMNA (0.69) GRIN1GRIN2BG6PDCYP3A4CYP1A2
SCHEMBL18891600 0.81 LMNA (0.69) GRIN1GRIN2BG6PDCYP3A4CYP1A2
SCHEMBL598581 0.81 LMNA (0.69) GRIN1GRIN2BG6PDCYP3A4CYP1A2
SCHEMBL14149787 0.81 LMNA (0.69) GRIN1GRIN2BG6PDCYP3A4CYP1A2
SCHEMBL7418009 0.81 LMNA (0.69) GRIN1GRIN2BG6PDCYP3A4CYP1A2
SCHEMBL2227935 0.81 LMNA (0.69) GRIN1GRIN2BG6PDCYP3A4CYP1A2
SCHEMBL8074397 0.81 LMNA (0.69) GRIN1GRIN2BG6PDCYP3A4CYP1A2
SCHEMBL3644724 0.81 LMNA (0.69) GRIN1GRIN2BG6PDCYP3A4CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0256095-B1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1993-05-19 — — EP claimed
EP-0256095-A4 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES. UNIV FLORIDA AGRICULT MECH (US) 1988-09-28 — — EP claimed
US-4762919-A STEROIDS FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1988-08-09 — — US claimed
EP-0256095-A1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES. UNIV FLORIDA AGRICULT MECH (US) 1988-02-24 — — EP claimed
WO-1987005028-A1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1987-08-27 — — WO claimed
EP-0256095-B1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1993-05-19 — — EP disclosed
EP-0256095-B1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1993-05-19 — — EP disclosed
EP-0256095-A4 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES. UNIV FLORIDA AGRICULT MECH (US) 1988-09-28 — — EP disclosed
EP-0256095-A4 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES. UNIV FLORIDA AGRICULT MECH (US) 1988-09-28 — — EP disclosed
US-4762919-A STEROIDS FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1988-08-09 — — US disclosed
US-4762919-A STEROIDS FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1988-08-09 — — US disclosed
EP-0256095-A1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES. UNIV FLORIDA AGRICULT MECH (US) 1988-02-24 — — EP disclosed
EP-0256095-A1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES. UNIV FLORIDA AGRICULT MECH (US) 1988-02-24 — — EP disclosed
WO-1987005028-A1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1987-08-27 — — WO disclosed
WO-1987005028-A1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1987-08-27 — — WO disclosed