SCHEMBL11062368

SCHEMBL11062368

C=C1C=CC(C)=C1CCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
DHODH Q02127 1/20 0.36
DAO P14920 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL11061408 0.78 GABRA1 (0.31)
SCHEMBL1187679 0.64 IDO1 (0.57) IDO1DHODHDAONOS3NOS1
SCHEMBL8080450 0.61 HTT (0.41) DHODH
SCHEMBL3047188 0.59 CYP1A2 (0.52) IDO1NOS3NOS1NOS2
SCHEMBL571484 0.59 DHODH (0.60) IDO1DHODH
SCHEMBL29934381 0.58 IDO1 (0.50) IDO1DHODHDAO
SCHEMBL547360 0.58
SCHEMBL4218300 0.58 HTT (0.35)
SCHEMBL8729842 0.58 SMN1; SMN2 (0.35)
SCHEMBL31517195 0.58 SLC6A2 (0.48) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4464521-A EPOXIDIZED FULVENES AS BINDER FOR AGGREGATE; FOUNDRY BINDERS ASHLAND OIL, INC. (US) 1984-08-07 US claimed
US-4452299-A POURING FLUVENES AND POLYMERIZABLE MATERIALS INTO MOLDS; CURING ASHLAND OIL, INC. (US) 1984-06-05 US claimed
US-4394466-A AGGREGATES, METAL CARBOXYLATE CATALYST ASHLAND OIL, INC. (US) 1983-07-19 US claimed
US-4390675-A EPOXYFULVENE, ACID CATALYST ASHLAND OIL, INC. (US) 1983-06-28 US claimed
US-4320218-A CURABLE FULRENES AND A METAL SALT CATALYST ASHLAND OIL, INC. (US) 1982-03-16 US claimed
US-4452299-A POURING FLUVENES AND POLYMERIZABLE MATERIALS INTO MOLDS; CURING ASHLAND OIL, INC. (US) 1984-06-05 US disclosed
US-4394466-A AGGREGATES, METAL CARBOXYLATE CATALYST ASHLAND OIL, INC. (US) 1983-07-19 US disclosed
US-4320218-A CURABLE FULRENES AND A METAL SALT CATALYST ASHLAND OIL, INC. (US) 1982-03-16 US disclosed