SCHEMBL8090582

SCHEMBL8090582

CC1=C(n2ccccc2=O)c2cc(CO)ccc2OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.35
CNR1 P21554 6/20 0.34
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 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
SCHEMBL10521128 0.84 KDM4E (0.36) ALDH1A1KDM4E
SCHEMBL8085373 0.82 HSD11B1 (0.33) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8090596 0.82 F10 (0.34)
SCHEMBL8088434 0.82 S100A4 (0.37) ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL8076894 0.82 KMT2A (0.36) CNR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8077107 0.81 F10 (0.39) BAZ2BBAZ2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8084275 0.81 RXFP1 (0.31) ALDH1A1
SCHEMBL8084622 0.80 F10 (0.33) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8090664 0.80 MAPT (0.46) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7267575 0.80 ABCC9 (0.37)

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
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed