SCHEMBL4977236

SCHEMBL4977236

COc1cc([S])ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
DHFR P00374 1/20 0.39
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
TUBB1 Q9H4B7 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
S1PR1 P21453 3/20 0.37
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
KMO O15229 1/20 0.36
GRM4 Q14833 1/20 0.36
ALOX15 P16050 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
SCHEMBL1402508 0.79 CA2 (0.56) ACHECA12CA1CA2CA7
SCHEMBL30167567 0.77 ACHE (0.68) ACHEALDH1A1CYP3A4MAPTMEN1
SCHEMBL9440147 0.77 ALDH1A1 (0.56) DHFRALDH1A1CYP3A4S1PR1KMO
SCHEMBL92174 0.77 ACHE (0.68) ACHEALDH1A1CYP3A4MAPTMEN1
Ammonia Solution, Strong SCHEMBL27939388 0.75 ACHE (0.65) ACHEALDH1A1CYP3A4MAPTMEN1
SCHEMBL29837419 0.75 CA12 (0.65) ACHECA12CA1CA2CA7
SCHEMBL140807 0.75 CA12 (0.65) ACHECA12CA1CA2CA7
SCHEMBL17117158 0.75 ALDH1A1 (0.54) DHFRALDH1A1CYP3A4S1PR1KMO
SCHEMBL4977240 0.73 ACHE (0.39) ACHEDHFRCA12CA1CA2
SCHEMBL1912444 0.73 TRPV4 (0.52) ALDH1A1CYP3A4S1PR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332261-B2 Phthalocyanine compound, process for preparing the same, and optical recording medium containing the same CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-19 US disclosed
EP-1482013-B1 PHTHALOCYANINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME CIBA SC HOLDING AG (CH) 2007-07-18 EP disclosed
US-20050201265-A1 Phthalocyanine compound, process for producing the same, and optical recording medium containing the same MITSUI CHEMICALS, INC. (JP) 2005-09-15 US disclosed
EP-1482013-A1 PHTHALOCYANINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME MITSUI CHEMICALS, INC. (JP) 2004-12-01 EP disclosed