SCHEMBL4354627

SCHEMBL4354627

CC1=CCC(c2ccccc2C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 3/20 0.36
RORC P51449 1/20 0.35
NOTUM Q6P988 1/20 0.35
MLYCD O95822 1/20 0.35
MYC P01106 2/20 0.35
AKR1C3 P42330 1/20 0.35
NR4A1 P22736 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL29060987 0.82 CYP2C9 (0.40) ALDH1A1SMN1; SMN2NPC1MAPTCYP2C9
SCHEMBL19433221 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRCYP2C9ALOX15
SCHEMBL5196202 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTCYP2C9ALOX15
SCHEMBL4109572 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTCYP2C9ALOX15
SCHEMBL10457353 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTCYP2C9ALOX15
SCHEMBL30175300 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTCYP2C9ALOX15
SCHEMBL5163052 0.76 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPC1MAPTCYP2C9
Hydrochloric Acid SCHEMBL29705669 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTCYP2C9ALOX15
SCHEMBL2731512 0.73 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTCYP2C9ALOX15
SCHEMBL3634253 0.73 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTCYP2C9ALOX15

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-1457511-B1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME MITSUI CHEMICALS INC (JP) 2009-07-15 EP disclosed
US-7345135-B2 Crosslinkable aromatic resin having protonic acid group, and ion conductive polymer membrane, binder and fuel cell using the resin MITSUI CHEMICALS, INC. (JP) 2008-03-18 US disclosed
US-20040191602-A1 Crosslinkable aromatic resin having protonic acid group, and ion conductive polymer membrane, binder and fuel cell using the resin MITSUI CHEMICALS, INC. (JP) 2004-09-30 US disclosed
EP-1457511-A1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-09-15 EP disclosed