SCHEMBL22978418

SCHEMBL22978418

Cc1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.46
ENPP3 O14638 1/20 0.46
DHFR P00374 1/20 0.45
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
GPR84 Q9NQS5 1/20 0.42
FLT3 P36888 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
PPARG P37231 5/20 0.40
PPARA Q07869 5/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARD Q03181 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL29222580 0.91 DHFR (0.46) ENPP1ENPP3DHFRCA12CA1
SCHEMBL2495608 0.87 ENPP1 (0.57) ENPP1ENPP3CA12CA1CA2
SCHEMBL3414833 0.85 MAPT (0.47) ENPP1ENPP3DHFRCA12CA1
SCHEMBL29269085 0.84 DHFR (0.47) ENPP1ENPP3DHFRCA12CA1
SCHEMBL27955876 0.82 CYP1A2 (0.44) ENPP1ENPP3DHFRCA12CA1
SCHEMBL21342262 0.82 CYP17A1 (0.46) ENPP1ENPP3DHFRCA12CA1
SCHEMBL26214138 0.82 DHFR (0.45) ENPP1ENPP3DHFRCA12CA1
Formaldehyde SCHEMBL23148501 0.81 CA12 (0.53) ENPP1ENPP3CA12CA1CA2
SCHEMBL22978420 0.81 CYP1A2 (0.46) ENPP1GPR84HDAC8ALDH1A1CYP2A6
SCHEMBL28495403 0.81 ENPP1 (0.44) ENPP1ENPP3DHFRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230363196-A1 MATERIALS FOR FORMING A NUCLEATION-INHIBITING COATING AND DEVICES INCORPORATING SAME OTI LUMIONICS INC. (CA) 2023-11-09 US disclosed
US-11751415-B2 Materials for forming a nucleation-inhibiting coating and devices incorporating same OTI LUMIONICS INC. (CA) 2023-09-05 US disclosed
US-20210047536-A1 MATERIALS FOR FORMING A NUCLEATION-INHIBITING COATING AND DEVICES INCORPORATING SAME OTI LUMIONICS, INC. (CA) 2021-02-18 US disclosed