SCHEMBL9146458

SCHEMBL9146458

O=C1CCCC1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.52
PTGS1 P23219 9/20 0.52
OPRK1 P41145 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL28184633 0.97 PTGS1 (0.49) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL11794403 0.95 PTGS1 (0.48) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29169559 0.95 PTGS1 (0.48) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9148834 0.82 ACP3 (0.47) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9166295 0.81 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL28399404 0.81 ACP3 (0.46) PTGS2PTGS1KMT2ACA1CA2
SCHEMBL11791384 0.80 KDM4E (0.46) PTGS2PTGS1KMT2ACA1CA2
SCHEMBL12645998 0.78 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL5517558 0.78 PTGS2 (0.52) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL2049346 0.78 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A

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-5466816-A Process for preparation of azolylmethylcycloalkanol derivatives KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-11-14 US disclosed
EP-0655443-A2 Process for the preparation of azolylmethylcycloalkanol derivatives KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-05-31 EP disclosed