SCHEMBL9736949

SCHEMBL9736949

COCC1(C)Oc2ccc([N+](=O)[O-])cc2C(Oc2ccc(=O)[nH]n2)C1(C)O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CACNA1C Q13936 1/20 0.31
AKR1B1 P15121 2/20 0.31
MAPK1 P28482 1/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL9735545 0.86
SCHEMBL9737765 0.84 ABCB1 (0.38) MEN1KMT2A
SCHEMBL9735313 0.84 ALOX5 (0.32) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9735242 0.83 MAPT (0.33) MAPTLMNAHTTSMN1; SMN2MEN1
SCHEMBL9735535 0.82 KMT2A (0.36) MAPTLMNAHTTSMN1; SMN2MEN1
SCHEMBL9738453 0.81 LMNA (0.33) MAPTLMNAHTTSMN1; SMN2CACNA1C
SCHEMBL9737027 0.79 AKR1B1 (0.34) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL9737038 0.74 AKR1B1 (0.33) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL7331735 0.70 ABCB1 (0.39) LMNA
SCHEMBL9740284 0.70 ALDH1A1 (0.33) MAPTLMNAHTTSMN1; SMN2MEN1

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed
EP-0415065-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed