SCHEMBL11571880

SCHEMBL11571880

O=C(O)Cc1cccc(-c2ccccc2)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUCNR1 Q9BXA5 1/20 0.53
▸ AKR1B1 P15121 1/20 0.50
▸ PTGS1 P23219 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MMP1 P03956 2/20 0.47
▸ MMP2 P08253 2/20 0.47
▸ MMP3 P08254 2/20 0.47
▸ MMP9 P14780 2/20 0.47
▸ MMP12 P39900 2/20 0.47
▸ MMP13 P45452 2/20 0.47
▸ MMP14 P50281 2/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ MMP16 P51512 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PTGER1 P34995 2/20 0.47
▸ PTGER4 P35408 2/20 0.47
▸ PTGER3 P43115 2/20 0.47
▸ PTGER2 P43116 2/20 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
SCHEMBL27905024 0.86 PTGS1 (0.49) SUCNR1AKR1B1PTGS1TDP1LMNA
SCHEMBL5580771 0.85 PTGER1 (0.48) SUCNR1AKR1B1PTGS1PTGER1PTGER4
SCHEMBL31062441 0.85 SUCNR1 (0.44) SUCNR1AKR1B1PTGS1TDP1MMP1
SCHEMBL4979854 0.83 PTGER4 (0.62) KMT2APTGER1PTGER4PTGER3PTGER2
SCHEMBL538512 0.83 KMT2A (0.60) AKR1B1PTGS1TDP1LMNARAB9A
SCHEMBL30790364 0.81 PDCD1 (0.60) SUCNR1LMNARAB9AKMT2APTGER1
SCHEMBL9548114 0.81 PDCD1 (0.60) SUCNR1LMNARAB9AKMT2APTGER1
SCHEMBL29512995 0.81 KMT2A (0.58) AKR1B1PTGS1TDP1LMNARAB9A
Hydrochloric Acid SCHEMBL11895689 0.81 KMT2A (0.58) AKR1B1PTGS1TDP1LMNARAB9A
SCHEMBL28594606 0.81 KMT2A (0.58) AKR1B1PTGS1TDP1LMNARAB9A

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
JP-54112842-A — — None — — JP disclosed
JP-S54112842-A PREPARATION OF ALPHA-BIPHENYLYL-PROPIONIC ACID DERIVATIVE NIKKEN KAGAKU KK 1979-09-04 — — JP disclosed
Send feedback