SCHEMBL7718670

SCHEMBL7718670

C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/C(O)C3(C(=O)N(C)C)CC3)CC[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.51
▸ ADRA1A P35348 2/20 0.51
▸ AR P10275 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ HSPD1 P10809 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ HSPE1 P61604 1/20 0.51
▸ TST Q16762 1/20 0.51
▸ VDR P11473 7/20 0.50
▸ NR1I2 O75469 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ HTR1A P08908 1/20 0.46

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
SCHEMBL7716298 0.90 VDR (0.52) LMNAADRA1AARALDH1A1ALOX15
SCHEMBL7713305 0.90 VDR (0.52) LMNAADRA1AARALDH1A1ALOX15
SCHEMBL8178780 0.89 LMNA (0.50) LMNAADRA1AARALDH1A1ALOX15
SCHEMBL7714416 0.89 ALDH1A1 (0.51) LMNAADRA1AARALDH1A1ALOX15
SCHEMBL7717831 0.88 VDR (0.56) LMNAADRA1AARALDH1A1ALOX15
SCHEMBL7718702 0.88 VDR (0.56) LMNAADRA1AARALDH1A1ALOX15
SCHEMBL6045249 0.85 VDR (0.60) LMNAADRA1AARALDH1A1ALOX15
SCHEMBL5438456 0.85 VDR (0.60) LMNAADRA1AARALDH1A1ALOX15
SCHEMBL5433038 0.85 VDR (0.60) LMNAADRA1AARALDH1A1ALOX15
SCHEMBL14112640 0.85 ALDH1A1 (0.58) LMNAADRA1AARALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376480-B1 TREATMENT OF IMMUNE SYSTEM DISORDERS, OSTEOPOROSIS, ALOPECIA SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-23 — — US disclosed
US-6372731-B1 TREATMENT OF CELL PROLIFERATION AND BONE DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-16 — — US disclosed
Send feedback