SCHEMBL16400528

SCHEMBL16400528

CC1(C)CN(Cc2ccccc2)C(C)(CCO)CO1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
AMPD2 Q01433 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ELANE P08246 2/20 0.34
SIGMAR1 Q99720 3/20 0.33
CYP2D6 P10635 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
CTSG P08311 1/20 0.33
PRTN3 P24158 1/20 0.33

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
SCHEMBL16400295 0.90 MEN1 (0.39) MEN1TSHRKMT2AAMPD2GAA
SCHEMBL16400527 0.76 GAA (0.40) MEN1TSHRKMT2AAMPD2GAA
SCHEMBL16399779 0.76 AMPD2 (0.40) MEN1TSHRKMT2AAMPD2GAA
SCHEMBL16401375 0.72 ELANE (0.43) AMPD2GAAALDH1A1MAPTHSD17B10
SCHEMBL6656563 0.70 GAA (0.45) MEN1TSHRKMT2AAMPD2GAA
SCHEMBL17700194 0.69 GAA (0.53) MEN1TSHRKMT2AAMPD2GAA
SCHEMBL28058814 0.68 GAA (0.46) MEN1TSHRKMT2AAMPD2GAA
SCHEMBL16400777 0.68 TSHR (0.43) MEN1TSHRKMT2AGAASIGMAR1
SCHEMBL27979482 0.67 AMPD2 (0.51) MEN1TSHRKMT2AAMPD2GAA
SCHEMBL16400298 0.67 SIGMAR1 (0.45) MEN1KMT2AGAAALDH1A1SIGMAR1

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-3004086-A1 SUBSTITUTED BENZOXAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-04-13 EP disclosed
WO-2014195230-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-11 WO disclosed