SCHEMBL3907360

SCHEMBL3907360

O=C(CCCBr)c1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.53
CES1 P23141 3/20 0.53
DRD2 P14416 1/20 0.49
ACKR3 P25106 8/20 0.49
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
KCNH2 Q12809 1/20 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
SCHEMBL7382708 0.93 CES2 (0.50) CES2CES1DRD2ACKR3RAB9A
SCHEMBL9827785 0.83 CES2 (0.53) CES2CES1DRD2ACKR3RAB9A
SCHEMBL29669985 0.82 CES2 (0.61) CES2CES1ACKR3RAB9AL3MBTL1
SCHEMBL962932 0.82 CES2 (0.61) CES2CES1ACKR3RAB9AL3MBTL1
Ethylene SCHEMBL10996445 0.80 CES2 (0.50) CES2CES1DRD2ACKR3RAB9A
SCHEMBL22598282 0.79 NPC1 (0.47) DRD2RAB9ANPC1HTR2AHTR2C
SCHEMBL3907572 0.79 ACKR3 (0.49) CES2CES1DRD2ACKR3RAB9A
SCHEMBL11847285 0.79 CES2 (0.57) CES2CES1DRD2ACKR3RAB9A
SCHEMBL3527017 0.79 CES2 (0.57) CES2CES1DRD2ACKR3
SCHEMBL959448 0.79 CES2 (0.57) CES2CES1DRD2ACKR3RAB9A

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-7556911-B2 Titanocene based compound, photosensitive composition, photosensitive transfer sheet and pattern forming method FUJIFILM CORPORATION (JP) 2009-07-07 US disclosed
US-20070212642-A1 Titanocene based compound, photosensitive composition, photosensitive transfer sheet and pattern forming method FUJIFILM CORPORATION (JP) 2007-09-13 US disclosed