SCHEMBL24436713

SCHEMBL24436713

CC(=O)c1cc(O)ccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.43
KCNK9 Q9NPC2 4/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
P2RX1 P51575 1/20 0.41
EPHX2 P34913 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
F2R P25116 1/20 0.39
APP P05067 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL24436712 0.86 ALDH1A1 (0.42) KCNK3KCNK9ALDH1A1CYP3A4HPGD
SCHEMBL27051469 0.84 CA12 (0.50) ALDH1A1P2RX1EPHX2CA12CA1
SCHEMBL24445909 0.83 CA12 (0.57) KCNK3KCNK9P2RX1EPHX2CA12
SCHEMBL18354213 0.83 KMT2A (0.49) KCNK3KCNK9ALDH1A1CYP3A4P2RX1
SCHEMBL15884099 0.81 PTGDR2 (0.56) KCNK3KCNK9ALDH1A1HPGDEPHX2
SCHEMBL30468068 0.81 PTGDR2 (0.56) KCNK3KCNK9ALDH1A1HPGDEPHX2
SCHEMBL26723823 0.79 KCNK3 (0.47) KCNK3KCNK9ALDH1A1EPHX2L3MBTL1
SCHEMBL563973 0.78 ALDH1A1 (0.56) ALDH1A1CYP3A4HPGDMAPK1CA12
SCHEMBL24436864 0.78 KDM4E (0.45) ALDH1A1CYP3A4HPGDEPHX2KDM4E
SCHEMBL24436867 0.78 KDM4E (0.45) ALDH1A1CYP3A4HPGDEPHX2CA12

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
EP-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed
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