SCHEMBL29924512

SCHEMBL29924512

Cc1ccc2c(c1)C(C)(C)C(C)C2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.42
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ OPRM1 P35372 8/20 0.38
▸ SLC6A2 P23975 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ OPRD1 P41143 4/20 0.35
▸ OPRK1 P41145 4/20 0.35
▸ CCR2 P41597 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
SCHEMBL10391638 1.00 ACHE (0.42) ACHEHTR2AHTR2CHTR2BOPRM1
SCHEMBL28213176 0.80 OPRM1 (0.45) ACHEOPRM1OPRD1OPRK1
SCHEMBL23284298 0.78 ACHE (0.41) ACHEHTR2AHTR2CHTR2BSLC6A2
SCHEMBL11649138 0.78 OPRM1 (0.60) OPRM1OPRD1OPRK1
SCHEMBL28314868 0.76 ACHE (0.39) ACHEHTR2AHTR2CHTR2BSLC6A2
SCHEMBL414650 0.75 CYP3A4 (0.44) GRIN1GRIN2ACYP3A4
Hydrochloric Acid SCHEMBL28152573 0.73 CYP3A4 (0.43) GRIN1GRIN2ACYP3A4
Benzene SCHEMBL28485309 0.73 SIGMAR1 (0.44) GRIN1GRIN2ACYP3A4
SCHEMBL10684467 0.73 RARG (0.40) ACHEALDH1A1CYP3A4CCR2
SCHEMBL4874095 0.73 RARG (0.40) ACHEALDH1A1CYP3A4CCR2

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-12226512-B2 Personal care compositions COLGATE-PALMOLIVE COMPANY (US) 2025-02-18 — — US disclosed
US-20220296491-A1 Personal Care Compositions COLGATE-PALMOLIVE COMPANY (US) 2022-09-22 — — US disclosed
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