SCHEMBL9815734

SCHEMBL9815734

CC(Cc1ccccc1)(C1CCC(O)CC1)C1CCC(O)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
TRPA1 O75762 1/20 0.40
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SLC18A3 Q16572 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP3A4 P08684 1/20 0.35
BRD4 O60885 1/20 0.34
FDPS P14324 1/20 0.34

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
SCHEMBL3916202 0.81 SLC6A2 (0.45) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL25043591 0.76 SLC6A2 (0.47) SLC6A2TAAR1LMNACYP2D6TRPA1
Phenol SCHEMBL10684783 0.74 ESR2 (0.42) ALDH1A1SLC18A3CYP3A4
SCHEMBL16047194 0.73 SLC6A2 (0.59) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL10455153 0.72 MAOA (0.50) SLC18A3
SCHEMBL13953163 0.72 GLA (0.40) LMNACYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL15270036 0.71 HTR1A (0.38) SLC6A2TAAR1LMNACYP2D6CYP2C9
SCHEMBL6977373 0.71 GBA1 (0.59) SLC18A3
SCHEMBL8414688 0.71 GBA1 (0.59) SLC18A3
SCHEMBL8416050 0.71 GBA1 (0.59) SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0197458-B1 CURABLE EPOXY RESIN COMPOSITION ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1991-11-06 EP disclosed
US-4689390-A AMINE-EPOXY ADDUCT REACTED WITH PHENOLIC RESIN, ONE-PACK ASAHI DENKA KOGYO K.K. (JP) 1987-08-25 US disclosed
US-4657947-A COVERING RUSTY METAL SURFACES ASAHI DENKA KOGYO K.K. (JP) 1987-04-14 US disclosed
US-4657953-A CORROSION RESISTANCE ASAHI DENKA KOGYO K.K. (JP) 1987-04-14 US disclosed
EP-0197458-A2 Curable epoxy resin composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1986-10-15 EP disclosed
US-4535103-A POLYEPOXIDES AND EPOXY RESINS CROSSLINKED AND HARDENED WITH PHOSPHOROUS COMPOUNDS, AMINES, AND DIISOCYANATES ASAHI DENKA KOGYO K.K. (JP) 1985-08-13 US disclosed
US-4530947-A A RUSTY METAL-ADHERING CURABLE MIXTURE OF EPOXIDE-POLYHYDROXIDE REACTION PRODUCT, POLYISOCYANATE AND BITUMINOUS MATERIAL ASAHI DENKA KOGYO K.K. (JP) 1985-07-23 US disclosed
US-4340716-A EPOXY RESINS AND HARDENERS ASAHI DENKA KOGYO K.K. (JP) 1982-07-20 US disclosed
US-3950451-A COUPLED PRODUCT OF ALKYLPHENOL AND PHENOL-FORMALDEHYDE-DIAMINE CONDENSATE ASAHI DENKA KOGYO K.K. (JA) 1976-04-13 US disclosed