SCHEMBL9768577

SCHEMBL9768577

COc1nc2c(OC)cccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
MCHR1 Q99705 1/20 0.43
F2RL3 Q96RI0 2/20 0.42
CYP2A6 P11509 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
G6PD P11413 1/20 0.41

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
SCHEMBL31213014 0.96 NQO2 (0.43) NQO2ALDH1A1KDM4EHPGDMEN1
SCHEMBL28892605 0.81 ELANE (0.49) F2RL3MAPT
SCHEMBL20931281 0.81 ELANE (0.49) NQO2ALDH1A1KDM4EHPGDMEN1
SCHEMBL30698496 0.80 ALDH1A1 (0.51) NQO2ALDH1A1KDM4EHPGDMEN1
SCHEMBL27212624 0.80 TOP2A (0.41) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL10012992 0.80 NQO2 (0.44) NQO2ALDH1A1KDM4EHPGDMEN1
SCHEMBL5036483 0.80 MCHR1 (0.50) NQO2ALDH1A1KDM4EHPGDMEN1
SCHEMBL27037459 0.80 ALDH1A1 (0.51) NQO2ALDH1A1KDM4EHPGDMEN1
SCHEMBL22439323 0.77 ALDH1A1 (0.45) NQO2ALDH1A1KDM4EHPGDMEN1
SCHEMBL3117868 0.77 F2RL3 (0.48) NQO2ALDH1A1KDM4EHPGDMEN1

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
CN-118932539-A Preparation method and application of high-strength fiber composite material 曜之岩(广州)建材科技有限公司 2024-11-12 CN disclosed
US-5015561-A Method for forming a direct positive image FUJI PHOTO FILM CO., LTD. (JP) 1991-05-14 US disclosed