SCHEMBL29978987

SCHEMBL29978987

O=C(O)c1ccc(Cl)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.59
LTB4R Q15722 2/20 0.54
LTB4R2 Q9NPC1 2/20 0.54
CYP2C8 P10632 1/20 0.52
P2RX1 P51575 1/20 0.52
P2RX4 Q99571 1/20 0.52
P2RX7 Q99572 1/20 0.52
TMPRSS4 Q9NRS4 1/20 0.52
KDM1A O60341 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.49
MPO P05164 1/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXRA P19793 1/20 0.47

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
SCHEMBL3902553 1.00 GRIK1 (0.59) GRIK1LTB4RLTB4R2CYP2C8P2RX1
SCHEMBL23354390 0.91 PTGDR2 (0.59) GRIK1LTB4RLTB4R2CYP2C8TMPRSS4
SCHEMBL29978935 0.91 PTGDR2 (0.59) GRIK1LTB4RLTB4R2CYP2C8TMPRSS4
SCHEMBL6492505 0.89 CYP2C8 (0.57) GRIK1CYP2C8P2RX1P2RX4P2RX7
SCHEMBL23354157 0.87 KDM4E (0.59) LTB4RLTB4R2CYP2C8KDM1APTGDR2
SCHEMBL809394 0.85 ALDH1A1 (0.59) GRIK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23354434 0.83 CYP2C8 (0.54) GRIK1LTB4RLTB4R2CYP2C8KDM1A
SCHEMBL18223995 0.81 KDM1A (0.54) GRIK1CYP2C8KDM1AMPOALDH1A1
SCHEMBL6488781 0.81 RXRA (0.54) GRIK1CYP2C8KDM1AALDH1A1KDM4E
SCHEMBL6800649 0.80 PSEN1 (0.58) LTB4RLTB4R2CYP2C8ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4058448-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer Aktiengesellschaft (DE) 2022-09-21 EP disclosed