SCHEMBL9518328

SCHEMBL9518328

COc1ccc(OC)c2c1C(C)(C)CCC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.41
IDO1 P14902 1/20 0.40
EP300 Q09472 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA4 P22748 1/20 0.38
MAOA P21397 1/20 0.37
LMNA P02545 1/20 0.37
RXRA P19793 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL9418269 0.88 TP53 (0.44) ALDH1A1CYP3A4TSHRHSD17B10CA1
SCHEMBL9721980 0.84 ALDH1A1 (0.35) ADRA1AIDO1ALDH1A1TDP1TSHR
SCHEMBL9722105 0.83 TSHR (0.46) ALDH1A1TSHRLMNARXRAPTGS1
SCHEMBL23027463 0.75 ADRA1A (0.35) ADRA1AALDH1A1CYP3A4MAOAPTGS1
SCHEMBL18053266 0.74 HTR5A (0.46) ALDH1A1TDP1CA12CA1CA2
SCHEMBL6874731 0.72 TP53 (0.42) ALDH1A1CYP3A4RXRARARARARB
SCHEMBL4655427 0.72 CD274 (0.36) IDO1ALDH1A1CYP3A4TSHR
SCHEMBL9358367 0.72 HTR5A (0.44) ALDH1A1TDP1LMNAADRA2BPTGS1
SCHEMBL23027378 0.71 ALDH1A1 (0.36) ADRA1AALDH1A1CYP3A4HSD17B10
SCHEMBL23023377 0.71 HTR5A (0.46) ALDH1A1TDP1LMNAACHEADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0382076-B1 PHENYLHYDRAZONES, THEIR PREPARATION AND MEDICAMENTS AND COSMETICS MANUFACTURED THEREFROM BASF Aktiengesellschaft (DE) 1993-01-20 EP disclosed
US-5158977-A Antioxidant; preventive treatment of cutaneous inflammations and allergies L'OREAL (FR) 1992-10-27 US disclosed
US-5072042-A Skin disorders, anticarcinogenic-antitumor agent BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
US-5043482-A New derivatives of 5,6,7,8-tetrahydro-1-naphthalenol, a process for their preparation and cosmetic and pharmaceutical compositions containing them L'OREAL (FR) 1991-08-27 US disclosed
EP-0382076-A1 Phenylhydrazones, their preparation and medicaments and cosmetics manufactured therefrom BASF Aktiengesellschaft (DE) 1990-08-16 EP disclosed