SCHEMBL9770704

SCHEMBL9770704

CCCCc1ccc2c(c1)C(C)(C)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.45
ESR2 Q92731 1/20 0.39
RXRA P19793 2/20 0.38
MLNR O43193 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PSMB5 P28074 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP26A1 O43174 1/20 0.35
CYP26B1 Q9NR63 1/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
DRD3 P35462 2/20 0.35

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
SCHEMBL27473293 0.94 SLC6A2 (0.42) DRD2HTR2AHTR2CCYP3A4
SCHEMBL7207050 0.90 SKP2 (0.42) SKP2RXRAMLNRNPC1HPGD
SCHEMBL9770551 0.90 CNR1 (0.39) ESR2RXRACYP26A1CYP26B1HTR2A
SCHEMBL6675410 0.84 SLC6A2 (0.40) SIGMAR1DRD2HTR2AHTR2CCYP3A4
SCHEMBL6909472 0.83 CYP26B1 (0.50) SKP2RXRANPC1HPGDMAPK1
SCHEMBL9770732 0.82 ESR2 (0.38) ESR2RXRANPC1HPGDRAB9A
SCHEMBL11949124 0.81 KDM4E (0.40) ESR2RXRACA2CYP26A1CYP26B1
SCHEMBL10339561 0.79 ESR1 (0.41) ESR2RXRACYP26A1CYP26B1HTR2A
SCHEMBL27164761 0.78 ESR2 (0.42) ESR2RXRACYP26A1CYP26B1DRD2
SCHEMBL7142134 0.78 CYP26B1 (0.49) SKP2RXRACYP26A1CYP26B1HTR2A

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
CN-1148400-C polyimide and polyamic acid 三井化学株式会社 2004-05-05 CN disclosed
CN-1366534-A Polyimides and polyamide acids MITSUI CHEMICALS INC (JP) 2002-08-28 CN disclosed
US-4987261-A Diaminoindane derivatives MITSUI TOATSU CHEMICALS, INC. (JP) 1991-01-22 US disclosed