SCHEMBL27574595

SCHEMBL27574595

COc1c(C)c(O)cc(O)c1/C=C/C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ BCHE P06276 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ TNFRSF1A P19438 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CXCL12 P48061 1/20 0.46
▸ KRAS P01116 1/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ TUBB4A P04350 1/20 0.46

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
SCHEMBL7190221 1.00 CYP3A4 (0.49) CYP3A4CYP1A2CYP2C9CYP2C19BCHE
SCHEMBL6714554 0.84 TNFRSF1A (0.59) CYP3A4CYP1A2CYP2C9CYP2C19BCHE
SCHEMBL27860092 0.84 TNFRSF1A (0.59) CYP3A4CYP1A2CYP2C9CYP2C19BCHE
SCHEMBL7196529 0.81 ABCG2 (0.56) CYP3A4CYP1A2CYP2C9CYP2C19BCHE
SCHEMBL7196533 0.81 ABCG2 (0.56) CYP3A4CYP1A2CYP2C9CYP2C19BCHE
SCHEMBL7198632 0.80 NPC1 (0.55) CYP3A4CYP1A2CYP2C9CYP2C19BCHE
SCHEMBL7198628 0.80 NPC1 (0.55) CYP3A4CYP1A2CYP2C9CYP2C19BCHE
SCHEMBL8146123 0.79 MAPT (0.59) CYP3A4CYP1A2CYP2C9CYP2C19BCHE
SCHEMBL25196897 0.79 BCHE (0.52) CYP3A4CYP1A2CYP2C9CYP2C19BCHE
SCHEMBL22806733 0.77 BCHE (0.54) CYP3A4CYP1A2CYP2C9CYP2C19BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108283680-A The direct oral traditional Chinese medicine medicine materical crude slice of dragon blood powder 江苏苏轩堂药业有限公司 2018-07-17 — — CN disclosed
CN-105232959-B A Chinese medicinal composition 浏阳市利美免疫力修复中心有限公司 2017-12-22 — — CN disclosed
CN-105232959-A A Chinese medicinal composition LIUYANG LIMEI IMMUNITY REHABILITATION CT CO LTD 2016-01-13 — — CN disclosed
CN-103610864-A GMP production technology of two resina draconis refined fine-powder products and application method of the products JIANGSU HEALTH MEDICAL INVESTEMENT MAN CO LTD 2014-03-05 — — CN disclosed
CN-1321666-C Combination of medication of containing astragalus root and dragon's blood resin and application YAN BIN (CN) 2007-06-20 — — CN disclosed
CN-1660351-A Combination of medication of containing astragalus root and dragon's blood resin and application YAN BIN (CN) 2005-08-31 — — CN disclosed
Send feedback