SCHEMBL5696283

SCHEMBL5696283

CC(Oc1ccccc1C(C)(C)C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
GAA P10253 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
PPARG P37231 1/20 0.43
RBP4 P02753 2/20 0.42

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
SCHEMBL28821538 0.85 KMT2A (0.47) KMT2ATDP1ATMGAAALDH1A1
SCHEMBL9780582 0.85 PPARG (0.60) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL9780575 0.85 PPARG (0.60) KMT2AGAACYP1A2CYP2C9PKM
SCHEMBL28378642 0.81 TDP1 (0.49) KMT2ATDP1ATMGAAALDH1A1
SCHEMBL28378380 0.81 CYP1A2 (0.46) KMT2ATDP1GAACYP1A2CYP2C9
SCHEMBL8823303 0.79 TSHR (0.48) KMT2ATDP1GAACYP1A2CYP2C9
SCHEMBL30020052 0.79 TSHR (0.48) KMT2ATDP1GAACYP1A2CYP2C9
SCHEMBL8837901 0.79 TSHR (0.48) KMT2ATDP1GAACYP1A2CYP2C9
SCHEMBL8935730 0.79 PPARG (0.54) TDP1ATMGAAALDH1A1KDM4E
SCHEMBL8935731 0.79 PPARG (0.54) TDP1ATMGAAALDH1A1KDM4E

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
EP-1054052-B1 Stabilized hydrotreated and hydrodewaxed lubricant compositions CIBA SC HOLDING AG (CH) 2006-06-28 EP claimed
US-6410490-B1 OIL ADDITIVE MIXTURE CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-25 US claimed
EP-1054052-A2 Stabilized hydrotreated and hydrodewaxed lubricant compositions Ciba SC Holding AG (CH) 2000-11-22 EP claimed
CN-114773206-B Synthesis method of o-tert-butylaniline 安徽皓元药业有限公司 2024-01-26 CN disclosed
CN-114773206-A Synthesis method of o-tert-butylaniline 安徽皓元药业有限公司 2022-07-22 CN disclosed
EP-1054052-B1 Stabilized hydrotreated and hydrodewaxed lubricant compositions CIBA SC HOLDING AG (CH) 2006-06-28 EP disclosed
US-6410490-B1 OIL ADDITIVE MIXTURE CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-25 US disclosed
EP-1054052-A2 Stabilized hydrotreated and hydrodewaxed lubricant compositions Ciba SC Holding AG (CH) 2000-11-22 EP disclosed