SCHEMBL24436714

SCHEMBL24436714

CC(=O)c1ccc(OC(F)(F)F)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
PKM P14618 1/20 0.42
ESRRA P11474 2/20 0.42
CREBBP Q92793 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
APP P05067 2/20 0.40

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
SCHEMBL10322973 0.86 APP (0.50) PKMESRRAAPPMEN1KMT2A
SCHEMBL7362973 0.84 TTR (0.56) EPHX2PKMAPPALDH1A1L3MBTL1
SCHEMBL7354789 0.83 XDH (0.59) ALDH1A1MEN1KMT2AL3MBTL1PDE4D
SCHEMBL16210218 0.83 EPHX2 (0.59) EPHX2CREBBPALDH1A1MEN1KMT2A
SCHEMBL8383581 0.83 EPHX2 (0.44) EPHX2CREBBPALDH1A1MEN1KMT2A
SCHEMBL1105480 0.81 CYP1A2 (0.53) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL24812330 0.81 CYP1A2 (0.53) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL9526240 0.81 ESRRA (0.50) EPHX2ESRRACREBBP
SCHEMBL17407195 0.79 NOTUM (0.54) EPHX2CREBBPALDH1A1MEN1KMT2A
SCHEMBL2796916 0.79 EPHX2 (0.47) EPHX2CREBBPALDH1A1L3MBTL1LMNA

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
US-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 US disclosed