SCHEMBL3835892

SCHEMBL3835892

CC(C)(C)C(=O)[C@H]1O[C@@H]1c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.39
HBB P68871 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
EPHX1 P07099 2/20 0.36
PDE5A O76074 1/20 0.35
HDAC4 P56524 2/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
GLA P06280 1/20 0.34

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
SCHEMBL7777417 1.00 RXFP1 (0.40) RXFP1ALDH1A1TSHRGAAHBB
SCHEMBL3835893 1.00 RXFP1 (0.40) RXFP1ALDH1A1TSHRGAAHBB
SCHEMBL3835889 1.00 RXFP1 (0.40) RXFP1ALDH1A1TSHRGAAHBB
SCHEMBL7775621 0.80 TSHR (0.40) RXFP1ALDH1A1TSHRGAAPOLB
SCHEMBL7777453 0.80 TSHR (0.40) RXFP1ALDH1A1TSHRGAAPOLB
SCHEMBL9264763 0.79 EPHX1 (0.42) ALDH1A1TSHRGAAPOLBKDM4E
SCHEMBL28924946 0.77 EPHX1 (0.41) ALDH1A1TSHRGAAPOLBKDM4E
SCHEMBL30349456 0.77 ALDH1A1 (0.43) ALDH1A1TSHRGAAPOLBKDM4E
SCHEMBL7764706 0.75 EPHX1 (0.56) RXFP1ALDH1A1TSHRHBBHSD17B10
SCHEMBL7764709 0.75 EPHX1 (0.56) RXFP1ALDH1A1TSHRHBBHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1288201-B1 Optically active maleimide derivatives, optically active polymaleimide derivatives, production method thereof, separating agent using the same derivative, and method for separating optically active compounds using the same agent TOSOH CORP (JP) 2009-10-07 EP disclosed
US-6777526-B2 OPTICAL RESOLUTION AGENT OF AN OPTICALLY ACTIVE POLYMER DERIVED FROM AN N-(1-CYCLOHEXYLALKYL)MALEIMIDE TYPE MONOMER OF GIVEN FORMULA TOSOH CORPORATION (JP) 2004-08-17 US disclosed
EP-1288201-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, production method thereof, separating agent using the same derivative, and method for separating optically active compounds using the same agent Tosoh Corporation (JP) 2003-03-05 EP disclosed
EP-1127885-A2 Optically active epoxypropionate derivatives, intermediates, and processes for their production Tosoh Corporation (JP) 2001-08-29 EP disclosed