SCHEMBL10178487

SCHEMBL10178487

CCSCc1ccc(C(C)CC)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.39
CYP2C9 P11712 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HSP90AA1 P07900 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10178574 0.85 ALDH1A1 (0.40) ALDH1A1USP2GAAPKMHPGD
SCHEMBL10178571 0.85 ALDH1A1 (0.40) ALDH1A1USP2GAAPKMHPGD
SCHEMBL14607239 0.82 ALDH1A1 (0.41) ALDH1A1USP2GAAPKMHPGD
SCHEMBL10178552 0.82 ALDH1A1 (0.43) ALDH1A1USP2GAAPKMHPGD
SCHEMBL10178484 0.80 ESR1 (0.42) ALDH1A1USP2GAAPKMHPGD
SCHEMBL20734753 0.80 IDO1 (0.39) ALDH1A1GAACYP2C9
SCHEMBL10178491 0.79 HTR2A (0.39) ALDH1A1USP2GAAPKMHPGD
SCHEMBL12040017 0.79 CYP2C9 (0.36) ALDH1A1USP2GAAPKMHPGD
SCHEMBL10178617 0.78 HDAC4 (0.46) ALDH1A1USP2GAAPKMHPGD
SCHEMBL27348755 0.78 ALDH1A1 (0.35) ALDH1A1USP2GAAPKMHPGD

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
US-8124310-B2 Positive resist composition and pattern forming method using the same FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
US-20090087784-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed