SCHEMBL1694910

SCHEMBL1694910

CCOC(=O)O[Si](C)(C)Cc1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.45
▸ SLC6A4 P31645 5/20 0.45
▸ SLC6A3 Q01959 4/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ TACR1 P25103 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL292209 0.73 CYP1A2 (0.41) CYP1A2CYP2A6TACR1MEN1KMT2A
SCHEMBL3800271 0.73 GAA (0.56) CYP1A2CYP2A6GAANPC1MEN1
SCHEMBL2385413 0.71 CYP4F2 (0.59) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL7639928 0.71 GAA (0.50) CYP1A2CYP2A6GAAKDM4EMEN1
SCHEMBL8469059 0.71 PPARG (0.56) CYP1A2CYP2A6GAATACR1ALDH1A1
SCHEMBL28270204 0.70 CYP1A2 (0.63) CYP1A2CYP2A6GAAKDM4ENPC1
SCHEMBL8081828 0.70 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL23257472 0.70 HTR2A (0.53) CYP1A2CYP2A6GAATACR1
SCHEMBL20521930 0.70 CYP1A2 (0.47) CYP1A2CYP2A6GAATACR1KDM4E
SCHEMBL27787124 0.70 GAA (0.52) CYP1A2CYP2A6GAATACR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4138923-A1 DRUG ANTIBODY CONJUGATES Pharma Mar, S.A. (ES) 2023-03-01 — — EP disclosed
WO-2021214126-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2021-10-28 — — WO disclosed
EP-2825542-A1 LIVER X RECEPTOR MODULATORS Vitae Pharmaceuticals, Inc. (US) 2015-01-21 — — EP disclosed
WO-2013138568-A1 LIVER X RECEPTION MODULATORS VITAE PHARMACEUTICALS, INC. (US) 2013-09-19 — — WO disclosed
EP-2576569-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS Pharma Mar S.A. (ES) 2013-04-10 — — EP disclosed
WO-2011147828-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS PHARMA MAR, S.A. (ES) 2011-12-01 — — WO disclosed
Send feedback