SCHEMBL8681917

SCHEMBL8681917

CCCc1ccc(C(C)C)c(O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 5/20 0.41
▸ GABRB1 P18505 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ GABRB2 P47870 3/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ FAAH O00519 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41

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
SCHEMBL7868811 0.85 GABRA1 (0.43) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL28576004 0.81 GABRA1 (0.43) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL13862920 0.75 PRKCI (0.52) GABRA1GABRB2PRKCIELANECTSG
SCHEMBL7066182 0.74 GABRA1 (0.59) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL31028132 0.74 GABRA1 (0.59) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL15994580 0.72 PRKCI (0.44) HTR2BCYP3A4TSHRPRKCICHRM1
SCHEMBL16736888 0.71 LMNA (0.55) GABRA1GABRB1LMNASLC6A2HTR2B
SCHEMBL159123 0.71 GABRA1 (0.48) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL22845074 0.71 GABRA1 (0.48) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL9114093 0.71 PRKCI (0.47) LMNACYP3A4HPGDTSHRBLM

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-5716443-A MIXTURES OF POLYDIMETHYLSILOXANE, ANOTHER POLYSILOXANE HAVING MONOMERS CONTAINING AMINOALKYL GROUPS, ORGANIC ACIDS AND AQUEOUS ORGANIC SOLVENTS TAIHO INDUSTRIES, CO., LTD. (JP) 1998-02-10 — — US disclosed
US-5584917-A POLYSILOXANE WITH TERT-AMINO GROUP; DURABILITY, ONE STEP TREATMENT TAIHO INDUSTRIES CO., LTD. (JP) 1996-12-17 — — US disclosed
Send feedback