SCHEMBL19033227

SCHEMBL19033227

CC(C)(C)c1ccc2c3c(cccc13)C(=O)OC2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 6/20 0.56
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ POLB P06746 4/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ PABPC1 P11940 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ USP2 O75604 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KEAP1 Q14145 2/20 0.37
▸ NFE2L2 Q16236 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RGS12 O14924 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PARP1 P09874 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
SCHEMBL23563365 0.81 MEN1 (0.57) KMT2AMEN1POLBTDP1KDM4E
SCHEMBL19034407 0.79 TYMS (0.42) TYMSKMT2AMEN1POLBTDP1
SCHEMBL10267341 0.78 TYMS (0.70) TYMSKMT2AMEN1POLBTDP1
SCHEMBL17726773 0.76 TYMS (0.49) TYMSKMT2AMEN1POLBTDP1
SCHEMBL19033208 0.76 CYP1B1 (0.64) KMT2AMEN1POLBTDP1KDM4E
SCHEMBL6984126 0.76 MAPT (0.62) TYMSKMT2AMEN1POLBTDP1
SCHEMBL16800974 0.75 CA2 (0.32) —
SCHEMBL6390766 0.75 TYMS (0.35) TYMSKMT2AMEN1TDP1ALDH1A1
SCHEMBL17726839 0.74 TYMS (0.47) TYMSKMT2AMEN1POLBTDP1
SCHEMBL19161950 0.74 CYP1A2 (0.36) KDM4EMAPTPABPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9691555-B2 Photosensitive porphyrin dyes for dye-sensitized solar cells NATIONAL CHUNG HSING UNIVERSITY (TW) 2017-06-27 — — US disclosed
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