SCHEMBL7813283

SCHEMBL7813283

O=C(O)CC12CC3CC(CC(C3)C1c1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.44
P2RX7 Q99572 4/20 0.43
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 2/20 0.38
EPHX2 P34913 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7825363 0.88 HSD11B1 (0.49) HSD11B1P2RX7ALDH1A1LMNAHPGD
SCHEMBL7834125 0.87 HSD11B1 (0.50) HSD11B1P2RX7ALDH1A1MEN1KMT2A
SCHEMBL29173828 0.86 P2RX7 (0.63) P2RX7MEN1KMT2AEPHX2
SCHEMBL6684561 0.80 EPHX2 (0.36) P2RX7ALDH1A1HPGDFAAHMAPK1
SCHEMBL7079611 0.79 P2RX7 (0.36) P2RX7ALDH1A1MEN1KMT2ALMNA
SCHEMBL12705238 0.77 ALDH1A1 (0.36) P2RX7ALDH1A1MEN1KMT2AHPGD
SCHEMBL6680932 0.77 GRIN2D (0.39) EPHX2
SCHEMBL19149260 0.76 FAAH (0.41) P2RX7ALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6680842 0.76 HTR2C (0.38)
SCHEMBL3510746 0.75 ALDH1A1 (0.40) HSD11B1P2RX7ALDH1A1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0702689-A4 HAPTENS, TRACERS, IMMUNOGENS AND ANTIBODIES FOR 3-PHENYL-1-ADAMANTANEACETIC ACIDS ABBOTT LAB (US) 1997-10-22 EP disclosed
EP-0702689-A1 HAPTENS, TRACERS, IMMUNOGENS AND ANTIBODIES FOR 3-PHENYL-1-ADAMANTANEACETIC ACIDS ABBOTT LABORATORIES (US) 1996-03-27 EP disclosed
WO-1994029329-A1 HAPTENS, TRACERS, IMMUNOGENS AND ANTIBODIES FOR 3-PHENYL-1-ADAMANTANEACETIC ACIDS ABBOTT LABORATORIES (US) 1994-12-22 WO disclosed