SCHEMBL7129810

SCHEMBL7129810

C=COCc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
RXRA P19793 9/20 0.49
RXRB P28702 8/20 0.49
NR4A2 P43354 4/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
RXRG P48443 2/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46

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
Cyclohexane SCHEMBL7643203 0.92 RXRA (0.46) ALDH1A1RXRARXRBNR4A2NPC1
SCHEMBL7643725 0.83 KMT2A (0.45) ALDH1A1RXRARXRBNR4A2NPC1
SCHEMBL5116479 0.82 ALDH1A1 (0.51) ALDH1A1RXRARXRBNR4A2NPC1
SCHEMBL5479582 0.81 IDO1 (0.35) ALDH1A1SMN1; SMN2TP53TSHR
SCHEMBL927212 0.80 LOXL2 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
Terephthalic Acid SCHEMBL6906820 0.78 ALDH1A1 (0.50) ALDH1A1RXRARXRBSMN1; SMN2TP53
SCHEMBL3314893 0.78 ALDH1A1 (0.56) ALDH1A1RXRARXRBNR4A2NPC1
SCHEMBL935009 0.78 ALDH1A1 (0.47) ALDH1A1RXRARXRBNR4A2NPC1
SCHEMBL566413 0.78 NPC1 (0.62) ALDH1A1RXRARXRBNR4A2NPC1
SCHEMBL8456421 0.77 IDO1 (0.50) ALDH1A1NPC1RAB9AHPGD

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-6551710-B1 Primer composition comprises dithiol or polythiol compound and allyl or vinyl monomer; coating composition can further comprise photochromic dyes and additional polymerizable monomers; coatings for lenses SOLA INTERNATIONAL HOLDINGS, LTD. (AU) 2003-04-22 US claimed
WO-2000044819-A1 PHOTOCURABLE COATINGS FOR POLYESTER ARTICLES EASTMAN CHEMICAL COMPANY (US) 2000-08-03 WO claimed