SCHEMBL9435442

SCHEMBL9435442

O=C1CCC(c2ccc(C3CCC(=O)OC3=O)cc2)C(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.50
F2 P00734 2/20 0.44
PLAU P00749 2/20 0.44
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
CRBN Q96SW2 5/20 0.38
DDB1 Q16531 4/20 0.38
TSHR P16473 1/20 0.36
PLA2G6 O60733 3/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
FAAH O00519 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL6243677 0.91 CTRB1 (0.44) CTRB1F2PLAUPLGPLAT
SCHEMBL9541605 0.91 CTRB1 (0.44) CTRB1F2PLAUPLGPLAT
SCHEMBL192372 0.90 CTRB1 (0.63) CTRB1F2PLAUCRBNDDB1
SCHEMBL9540482 0.86 ALDH1A1 (0.41) CTRB1F2PLAUPLGPLAT
SCHEMBL21470639 0.86 DDB1 (0.55) CTRB1CRBNDDB1MAPK1ALDH1A1
SCHEMBL9541923 0.86 CTRB1 (0.41) CTRB1F2PLAUPLGPLAT
SCHEMBL9541937 0.86 CTRB1 (0.41) CTRB1F2PLAUPLGPLAT
SCHEMBL9544321 0.85 CTRB1 (0.40) CTRB1F2PLAUALDH1A1LMNA
SCHEMBL11329173 0.84 CTRB1 (0.49) CTRB1F2PLAUPLGPLAT
SCHEMBL7815009 0.82 SLC6A2 (0.41) CTRB1TSHRMAPK1NPC1GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4263209-A FROM ALDEHYDES; INTERMEDIATES FOR POLYMERS THE DOW CHEMICAL COMPANY (US) 1981-04-21 US claimed
JP-6025414-A None JP disclosed
JP-H0625414-A LINEAR POLYIMIDE AND ITS PRODUCTION DAICEL CHEM IND LTD 1994-02-01 JP disclosed
US-4271288-A TETRACARBOXYLIC ACID BONDED TO ARYLENE MOIETY VIA METHYLENE GROUPS THE DOW CHEMICAL COMPANY (US) 1981-06-02 US disclosed
US-4263209-A FROM ALDEHYDES; INTERMEDIATES FOR POLYMERS THE DOW CHEMICAL COMPANY (US) 1981-04-21 US disclosed