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SCHEMBL8620995

SCHEMBL8620995

CC1CCC(C(C)C)C(COC2=CC(=O)[C@H](C(=O)O)C(C)C2)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP19A1 P11511 2/20 0.34
▸ EPHX1 P07099 3/20 0.33
▸ TRPM8 Q7Z2W7 3/20 0.33
▸ HPGD P15428 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ P2RX4 Q99571 1/20 0.32

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
SCHEMBL8622835 0.72 ALDH1A1 (0.46) ALDH1A1LMNACYP19A1EPHX1TRPM8
SCHEMBL11065102 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL17363765 0.68 KCNA5 (0.46) ALDH1A1LMNATRPM8HPGDTRPV1
SCHEMBL4455481 0.67 EPHX1 (0.44) ALDH1A1CYP19A1EPHX1TRPM8HPGD
SCHEMBL29450387 0.67 EPHX1 (0.44) ALDH1A1CYP19A1EPHX1TRPM8HPGD
SCHEMBL4594644 0.67 EPHX1 (0.44) ALDH1A1CYP19A1EPHX1TRPM8HPGD
SCHEMBL8620993 0.67 OPRD1 (0.35) ALDH1A1LMNACYP19A1EPHX1TRPM8
SCHEMBL114683 0.66 EPHX1 (0.46) ALDH1A1LMNACYP19A1EPHX1TRPM8
SCHEMBL19020350 0.65 CYP19A1 (0.53) ALDH1A1LMNACYP19A1TRPM8HPGD
SCHEMBL21350192 0.65 MEN1 (0.46) ALDH1A1LMNACYP19A1TRPM8HPGD

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-5763451-A Dynemicin analogs CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-06-09 — — US disclosed