SCHEMBL9563126

SCHEMBL9563126

Cc1ccc(C(=O)c2ccc([Si](C)(C)C)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
LMNA P02545 2/20 0.70
SRD5A2 P31213 2/20 0.59
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
HTT P42858 4/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.46
MITF O75030 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
AKR1C3 P42330 1/20 0.46
PKM P14618 2/20 0.45
ATM Q13315 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NLRP1 Q9C000 1/20 0.45

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
SCHEMBL30080293 0.91 ALDH1A1 (0.52) ALDH1A1LMNASRD5A2HTTRAB9A
SCHEMBL11744419 0.86 ALDH1A1 (0.61) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL822185 0.83 ALDH1A1 (1.00) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL52200 0.83 ALDH1A1 (1.00) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL1157438 0.83 ALDH1A1 (0.61) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL11745863 0.81 ALDH1A1 (0.55) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL11745820 0.81 CNR2 (0.51) ALDH1A1LMNASMN1; SMN2ATMTDP1
SCHEMBL11528213 0.81 ALDH1A1 (0.94) ALDH1A1LMNASRD5A2CES2CES1
Hydrochloric Acid SCHEMBL27909743 0.81 ALDH1A1 (0.94) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL11744841 0.81 SRD5A2 (0.57) ALDH1A1LMNASRD5A2CES2CES1

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
US-4042613-A PHOTOSENSITIZERS, POLYMERS DAI NIPPON PRINTING CO., LTD. (JA) 1977-08-16 US claimed
EP-0296878-B1 MODIFIED POLYSILOXANE-COATED SANITARY RUBBER ARTICLE AND PROCESS FOR ITS PRODUCTION DAIKYO GOMU SEIKO LTD. (JP) 1993-09-01 EP disclosed
US-5114794-A Coatings for medical equipment and drug containers for biological injections; adhesion; bonding strength DAIKYO GOMU SEIKO LTD. (JP) 1992-05-19 US disclosed
US-5110621-A Radiation with electrons, lasers, or ultraviolet rays to bond DAIKYO GOMU SEIKO LTD. (JP) 1992-05-05 US disclosed
EP-0296878-A2 Modified polysiloxane-coated sanitary rubber article and process for its production DAIKYO GOMU SEIKO LTD. (JP) 1988-12-28 EP disclosed
US-4042613-A PHOTOSENSITIZERS, POLYMERS DAI NIPPON PRINTING CO., LTD. (JA) 1977-08-16 US disclosed