SCHEMBL9816737

SCHEMBL9816737

CC(=O)OC(C)(C)C(Cc1ccccc1)C(C)(C)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
CYP1A2 P05177 1/20 0.44
ATM Q13315 1/20 0.43
FOLH1 Q04609 1/20 0.42
CTRB1 P17538 4/20 0.42
SRR Q9GZT4 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALPL P05186 1/20 0.41
POLB P06746 1/20 0.41
ALPG P10696 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CTSS P25774 2/20 0.41
CTSL P07711 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
SCHEMBL9465785 0.83 ALDH1A1 (0.44) ALDH1A1CTRB1CTSSCTSK
SCHEMBL9816534 0.76 TAAR1 (0.43) PPARGPPARA
Phenylalanine SCHEMBL1486185 0.76 SLC7A5 (0.69) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL11631184 0.75 TSHR (0.41) ALDH1A1ALPIPKMPTGS1XIAP
SCHEMBL8961746 0.74 CYP1A2 (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL25840112 0.73 ALDH1A1 (0.50) ALDH1A1CYP1A2CTRB1PPARGPPARA
SCHEMBL111212 0.73 ALDH1A1 (0.50) ALDH1A1CYP1A2PPARGPPARACTSK
SCHEMBL31553563 0.72 ALDH1A1 (0.53) ALDH1A1ALPIPKMPTGS1XIAP
SCHEMBL1221379 0.71 SLC7A5 (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL314142 0.71 SLC7A5 (0.58) ALPIPKMPTGS1XIAPSLC7A5

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
EP-0451679-A2 Method of producing polymers NIPPON ZEON CO., LTD. (JP) 1991-10-16 EP disclosed
EP-0397081-A2 Process for preparation of polymer NIPPON ZEON CO., LTD. (JP) 1990-11-14 EP disclosed