SCHEMBL11801313

SCHEMBL11801313

Cc1cc(C)c(C(C)C)c(C(C)C)c1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 1/20 0.32
▸ BCL2L1 Q07817 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ BCL2L2 Q92843 1/20 0.32
▸ LDHA P00338 1/20 0.31
▸ LDHB P07195 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TRPA1 O75762 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ CACNA1C Q13936 1/20 0.30

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
SCHEMBL9617859 0.88 BCL2 (0.34) BCL2BCL2L1MCL1BCL2L2LDHA
SCHEMBL1260609 0.79 LMNA (0.34) BCL2BCL2L1MCL1BCL2L2LMNA
SCHEMBL12986536 0.77 CYP3A4 (0.40) —
SCHEMBL28018184 0.77 SMN1; SMN2 (0.38) —
SCHEMBL24250383 0.77 — —
SCHEMBL8868238 0.77 CYP3A4 (0.40) —
SCHEMBL11802565 0.74 LMNA (0.34) BCL2BCL2L1MCL1BCL2L2LMNA
SCHEMBL11701184 0.72 BCL2 (0.45) BCL2BCL2L1MCL1BCL2L2LDHA
SCHEMBL10630036 0.72 ALDH1A1 (0.37) BCL2BCL2L1MCL1BCL2L2LDHA
SCHEMBL19840409 0.72 CYP3A4 (0.40) —

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-3992418-A Production of pyromellitic dianhydride UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-11-16 — — US disclosed
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