SCHEMBL7062969

SCHEMBL7062969

C=C(C)C(=O)OC(COC)(OCC)OCC.C=C(C)C(=O)OCCSc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 3/20 0.39
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
THRB P10828 1/20 0.35
MTNR1A P48039 1/20 0.35

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
SCHEMBL2392778 0.81 MTNR1A (0.50) ALDH1A1MAPTSMN1; SMN2TSHRRECQL
SCHEMBL8023883 0.80 THRB (0.38) ALDH1A1MAPTSMN1; SMN2TSHRRECQL
SCHEMBL269871 0.78 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL8018649 0.74 MEN1 (0.39) ALDH1A1MAPTSMN1; SMN2TSHRRECQL
SCHEMBL7529588 0.73 THRB (0.50) ALDH1A1MAPTSMN1; SMN2TSHRRECQL
SCHEMBL8023838 0.73 ALOX5 (0.36) ALDH1A1SMN1; SMN2TDP1HPGDKDM4E
SCHEMBL8020679 0.73 THRB (0.41) ALDH1A1MAPTSMN1; SMN2TSHRRECQL
SCHEMBL8028273 0.72 TDP1 (0.52) ALDH1A1MAPTSMN1; SMN2TSHRRECQL
SCHEMBL8016747 0.72 THRB (0.45) ALDH1A1MAPTSMN1; SMN2TSHRRECQL
SCHEMBL10050686 0.71 ELANE (0.55) ALDH1A1MAPTSMN1; SMN2TSHRRECQL

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-6673886-B2 FOR INTRAOCULAR LENSES BAUSCH & LOMB INCORPORATED 2004-01-06 US disclosed
US-20020037984-A1 High refractive index hydrogel compositions for ophthalmic implants VANDERBILT DAVID P (US) 2002-03-28 US disclosed