SCHEMBL9879828

SCHEMBL9879828

COc1cccc(-c2cccc(P)c2-c2cccc(OC)c2OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
TOP1 P11387 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
APP P05067 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38

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
SCHEMBL22832180 0.91 MEN1 (0.44) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL9879788 0.89 HDAC4 (0.50) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL28554675 0.87 APP (0.46) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL196440 0.84 MGAM (0.55) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL30491272 0.82 TOP1 (0.52) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL476858 0.81 APP (0.57) SMN1; SMN2TOP1KDM4EALDH1A1APP
SCHEMBL735693 0.80 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1TP53MAPT
SCHEMBL16674078 0.80 CA1 (0.55) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL29174503 0.79 APP (0.50) SMN1; SMN2KDM4EALDH1A1APPMAPT
Hydrochloric Acid SCHEMBL28639461 0.78 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
US-9334371-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-05-10 US disclosed
EP-2735581-A1 COMPOSITION AND POLYMER Asahi Kasei Chemicals Corporation (JP) 2014-05-28 EP disclosed
US-20140121293-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-05-01 US disclosed
US-5049693-A Process for the selective hydrogenation of olefins containing nitrile groups BAYER AKTIENGESELLSCHAFT (DE) 1991-09-17 US disclosed