SCHEMBL7912420

SCHEMBL7912420

C[Si](C)(C)Oc1cccc(C(=O)Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
AKR1C3 P42330 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMO O15229 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 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
SCHEMBL2981524 0.83 HSP90AA1 (0.43) CES2CES1PARP1ALDH1A1TSHR
SCHEMBL3519634 0.81 KDM4E (0.31) CES2CES1KDM4ELMNA
SCHEMBL7902130 0.81 GLRA1 (0.31) CES2CES1
SCHEMBL29626810 0.79 CES2 (0.71) CES2CES1PARP1ALDH1A1TSHR
SCHEMBL24402 0.79 CES2 (0.71) CES2CES1PARP1ALDH1A1TSHR
SCHEMBL726592 0.79 AKR1C3 (0.62) CES2CES1PARP1ALDH1A1TSHR
Ethane SCHEMBL27287143 0.78 CES2 (0.69) CES2CES1PARP1ALDH1A1TSHR
SCHEMBL6793622 0.77 ALDH1A1 (0.39) CES2CES1PARP1ALDH1A1TSHR
SCHEMBL10933601 0.77 AKR1C3 (0.60) CES2CES1PARP1ALDH1A1TSHR
SCHEMBL9769197 0.77 CES2 (0.39) CES2CES1PARP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300424-B1 Hyperbranched polyesters and polyamides CORNELL RESEARCH FOUNDATION, INC. 2001-10-09 US disclosed
EP-0558556-B1 HYPERBRANCHED POLYESTERS CORNELL RES FOUNDATION INC (US) 1997-04-23 EP disclosed
US-5514764-A Hyperbranched polyesters and polyamides CORNELL RESEARCH FOUNDATION, INC. (US) 1996-05-07 US disclosed
US-5270402-A Hyperbranched polyesters E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-12-14 US disclosed
EP-0558556-A1 HYPERBRANCHED POLYESTERS AND POLYAMIDES. CORNELL RES FOUNDATION INC (US) 1993-09-08 EP disclosed
US-5183862-A Capped polylactones uses as sustained release drug delivery, dispersants, adhesives, binders E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-02 US disclosed
US-5136014-A Hyperbranched polyesters E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-04 US disclosed
WO-1992008749-A1 HYPERBRANCHED POLYESTERS AND POLYAMIDES CORNELL RESEARCH FOUNDATION, INC. (US) 1992-05-29 WO disclosed