SCHEMBL9629019

SCHEMBL9629019

COC1(C2(Cc3ccc(F)cc3)CO2)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 1/20 0.33
IDO1 P14902 3/20 0.32
AGXT P21549 2/20 0.32
LOXL2 Q9Y4K0 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
MAOB P27338 1/20 0.30
LMNA P02545 1/20 0.30
PTBP1 P26599 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TRPA1 O75762 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
TAAR1 Q96RJ0 2/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9019664 0.72 CHRNA1 (0.32) IDO1LOXL2LMNATRPA1TAAR1
SCHEMBL8111267 0.66 AQP1 (0.39) AQP1IDO1AGXTPOLB
SCHEMBL10413318 0.65 EGFR (0.38) IDO1AGXTLOXL2MAOBTAAR1
SCHEMBL13681484 0.65 AQP1 (0.47) AQP1SMN1; SMN2TRPA1TSHR
SCHEMBL4312272 0.62 TRPA1 (0.43) AQP1IDO1AGXTLOXL2POLB
SCHEMBL27622154 0.62 MAOB (0.40) AQP1POLBKMT2AMAOBLMNA
SCHEMBL28914608 0.61 OPRL1 (0.43) IDO1LOXL2TRPA1TAAR1
SCHEMBL5349239 0.61 MAOB (0.61) IDO1AGXTLOXL2MAOBTAAR1
SCHEMBL3222499 0.60 OPRM1 (0.42) AQP1LMNASMN1; SMN2TAAR1
SCHEMBL22611647 0.60 IDO1 (0.41) IDO1AGXTMAOBLMNA

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-5140035-A FUNGICIDAL TRIAZOLYMETHYL-CYCLOPROPYL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-08-18 US disclosed
EP-0438686-A2 Triazolylmethyl-cyclopropyl derivatives BAYER AG (DE) 1991-07-31 EP disclosed