SCHEMBL6446367

SCHEMBL6446367

C=C(C)C(=O)OC(CCCCCCC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.43
NAAA Q02083 2/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ASAH1 Q13510 2/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
SLC37A4 O43826 1/20 0.40
ACER2 Q5QJU3 1/20 0.39
POLB P06746 1/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4447340 1.00 ALDH1A1 (0.45) ALDH1A1TSHRNAAANPC1RAB9A
SCHEMBL1562513 1.00 ALDH1A1 (0.45) ALDH1A1TSHRNAAANPC1RAB9A
SCHEMBL27909025 0.99 ALDH1A1 (0.43) ALDH1A1TSHRNAAANPC1RAB9A
Methacrylic Acid SCHEMBL28345316 0.97 ALDH1A1 (0.43) ALDH1A1TSHRNAAANPC1RAB9A
SCHEMBL1130647 0.94 POLB (0.43) ALDH1A1TSHRNAAAPOLBCNR2
SCHEMBL2319089 0.88 HPGD (0.40) ALDH1A1POLBLMNA
SCHEMBL9453824 0.86 THRA (0.42) ALDH1A1TSHRPRSS1PRSS2PRSS3
SCHEMBL30505598 0.86 ALDH1A1 (0.35) ALDH1A1TSHRNAAANPC1RAB9A
SCHEMBL23664923 0.85 ALDH1A1 (0.49) ALDH1A1NAAANPC1RAB9ASMN1; SMN2
SCHEMBL9340624 0.85 ALDH1A1 (0.49) ALDH1A1NAAANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519968-A1 LOW WATER CONTENT HIGH REFRACTIVE INDEX, FLEXIBLE, POLYMERIC COMPOSITIONS BAUSCH & LOMB INCORPORATED (US) 2005-04-06 EP disclosed
US-6852793-B2 Low water content, high refractive index, flexible, polymeric compositions BAUSCH & LOMB INCORPORATED (US) 2005-02-08 US disclosed
WO-2004000901-A1 LOW WATER CONTENT HIGH REFRACTIVE INDEX, FLEXIBLE, POLYMERIC COMPOSITIONS BAUSCH & LOMB INCORPORATED (US) 2003-12-31 WO disclosed
US-20030236375-A1 Low water content, high refractive index, flexible, polymeric compositions MEDICIS PHARMACEUTICAL CORPORATION 2003-12-25 US disclosed