SCHEMBL9116818

SCHEMBL9116818

C=C(Cc1c(C)cccc1Cl)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.50
▸ P2RX7 Q99572 7/20 0.42
▸ SLC22A12 Q96S37 4/20 0.41
▸ PTGS2 P35354 2/20 0.40
▸ ADRA2A P08913 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL9283073 0.88 KDM4E (0.40) AKR1B1SLC22A12PTGS2KMT2AMEN1
SCHEMBL3044981 0.82 AKR1B1 (0.74) AKR1B1P2RX7SLC22A12PTGS2ADRA2A
SCHEMBL8278400 0.79 AKR1B1 (0.52) AKR1B1P2RX7SLC22A12PTGS2ADRA2A
SCHEMBL7674948 0.79 AKR1B1 (0.52) AKR1B1P2RX7SLC22A12PTGS2ADRA2A
SCHEMBL9335830 0.78 KDM4E (0.34) SLC22A12PTGS2KMT2AMEN1LMNA
SCHEMBL2373994 0.75 SMN1; SMN2 (0.51) AKR1B1P2RX7KMT2AMAPK1
SCHEMBL2722418 0.74 AKR1B1 (0.45) AKR1B1P2RX7SLC22A12PTGS2ADRA2A
SCHEMBL31514215 0.73 NLRP3 (0.54) AKR1B1KMT2AMEN1LMNACYP3A4
SCHEMBL13185285 0.73 AKR1B1 (0.46) AKR1B1P2RX7SLC22A12PTGS2ADRA2A
SCHEMBL11389910 0.72 CTBP2 (0.44) AKR1B1P2RX7PTGS2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5395721-A Electrophotographic material for color proofing FUJI PHOTO FILM CO., LTD. (JP) 1995-03-07 — — US disclosed
US-5178982-A Binder resin is a blend of graft polymers FUJI PHOTO FILM CO., LTD. (JP) 1993-01-12 — — US disclosed
US-5116710-A Multilayer photoconductive layer with photoconductive compound and resin binder FUJI PHOTO FILM CO., LTD. (JP) 1992-05-26 — — US disclosed
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