SCHEMBL11315445

SCHEMBL11315445

Cc1cc(Cl)ccc1/C=C/C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
MAPT P10636 3/20 0.49
ITGB2 P05107 2/20 0.49
ICAM1 P05362 2/20 0.49
ITGAL P20701 2/20 0.49
PTGER3 P43115 2/20 0.49
PTGER2 P43116 2/20 0.49
TBXA2R P21731 1/20 0.49
PTGFR P43088 1/20 0.49
PTGIR P43119 1/20 0.49
PTGDR Q13258 1/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL11315447 1.00 ESR1 (0.50) ESR1MAPTITGB2ICAM1ITGAL
SCHEMBL7815157 0.86 MAPT (0.49) ESR1MAPTITGB2ICAM1ITGAL
SCHEMBL7815164 0.86 MAPT (0.49) ESR1MAPTITGB2ICAM1ITGAL
SCHEMBL584565 0.81 CYP1A1 (0.55) ESR1MAPTLMNAALDH1A1NPC1
SCHEMBL165227 0.81 MAPT (0.65) MAPTITGB2ICAM1ITGALPTGER3
SCHEMBL30278658 0.81 CYP1A1 (0.55) ESR1MAPTLMNAALDH1A1NPC1
SCHEMBL481451 0.81 MAPT (0.65) MAPTITGB2ICAM1ITGALPTGER3
SCHEMBL584566 0.81 CYP1A1 (0.55) ESR1MAPTLMNAALDH1A1NPC1
SCHEMBL29419102 0.81 MAPT (0.65) MAPTITGB2ICAM1ITGALPTGER3
SCHEMBL4316791 0.81 ESR1 (0.49) ESR1MAPTLMNAALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4279985-A Photopolymer imaging using epoxy and bromine containing ethylenically unsaturated compounds NIPPON TELEGRAPH AND TELEPHONE PUBLIC CORPORATION (JP) 1981-07-21 US claimed
US-4279985-A Photopolymer imaging using epoxy and bromine containing ethylenically unsaturated compounds NIPPON TELEGRAPH AND TELEPHONE PUBLIC CORPORATION (JP) 1981-07-21 US disclosed