SCHEMBL27782640

SCHEMBL27782640

O=C(c1ccccc1)c1ccc(OC(O)(O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 8/20 0.58
▸ ALDH1A1 P00352 1/20 0.56
▸ SRD5A2 P31213 2/20 0.54
▸ STS P08842 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ PPARG P37231 3/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ FABP2 P12104 1/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ SLC22A12 Q96S37 1/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL4602009 0.82 ELANE (0.56) ELANEALDH1A1SRD5A2STSGAA
SCHEMBL5281549 0.82 ELANE (0.64) ELANEALDH1A1SRD5A2STSPPARG
SCHEMBL27607343 0.82 ELANE (0.58) ELANEALDH1A1SRD5A2STSGAA
SCHEMBL24497333 0.79 ELANE (0.53) ELANEALDH1A1SRD5A2STSGAA
SCHEMBL11441192 0.79 PPARG (0.76) ELANEALDH1A1PPARGMEN1KMT2A
SCHEMBL124917 0.79 SRD5A2 (0.80) ELANEALDH1A1SRD5A2STSGAA
SCHEMBL28949003 0.79 ELANE (0.67) ELANEALDH1A1SRD5A2STSGAA
SCHEMBL9809047 0.79 SRD5A2 (0.80) ELANEALDH1A1SRD5A2STSGAA
SCHEMBL28938440 0.79 SRD5A2 (0.80) ELANEALDH1A1SRD5A2STSGAA
SCHEMBL9419497 0.79 SRD5A2 (0.80) ELANEALDH1A1SRD5A2STSGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107334920-A A kind of compound wind-weed setose thistle anti-bladder cancer oral liquid and its preparation technology 冯敏杰 2017-11-10 — — CN disclosed
CN-106551943-A Compositionss containing spirostane compound and application thereof 中国科学院上海药物研究所 2017-04-05 — — CN disclosed
CN-105012853-A Traditional Chinese medicine composition for treating hysteromyoma, preparation method and uses thereof LI DONGHUA 2015-11-04 — — CN disclosed
CN-103183715-B Furostan type saponin derivative and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-19 — — CN disclosed
CN-104815140-A Composition for preventing or/and treating diabetes and preparation method of composition GONG YANBING 2015-08-05 — — CN disclosed
CN-101744978-B Drug composition for preventing and curing diabetes mellitus SHANGHAI INST MATERIA MEDICA 2013-07-17 — — CN disclosed
CN-103183715-A Furostan saponin derivative and purpose thereof SHANGHAI INST MATERIA MEDICA 2013-07-03 — — CN disclosed
CN-101757073-B Medicinal composition containing atractylodes rhizome extractive SHANGHAI INST MATERIA MEDICA 2013-02-27 — — CN disclosed
CN-101757073-A Medicinal composition containing atractylodes rhizome extractive SHANGHAI INST MATERIA MEDICA 2010-06-30 — — CN disclosed
CN-101744978-A Drug compound for preventing and curing diabetes mellitus SHANGHAI INST MATERIA MEDICA 2010-06-23 — — CN disclosed
Send feedback