SCHEMBL12845045

SCHEMBL12845045

Cc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(I)ccc2-3)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.40
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC2 Q92769 3/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ RARA P10276 1/20 0.31
▸ RARB P10826 1/20 0.31
▸ RARG P13631 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ TNFRSF1A P19438 1/20 0.30

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
SCHEMBL10023966 0.85 PGR (0.41) PGRHDAC1HDAC2HDAC3HTR1D
SCHEMBL12744777 0.84 PGR (0.44) PGRHDAC1HDAC2HDAC3HTR1D
SCHEMBL13523423 0.84 PDK2 (0.40) PGRDRD2
SCHEMBL12440734 0.82 PGR (0.40) PGRHDAC1HDAC2HDAC3HTR1D
SCHEMBL9956421 0.81 TDP2 (0.34) PGR
SCHEMBL12721397 0.79 PGR (0.43) PGRHDAC1HDAC2HDAC3HTR1D
SCHEMBL12647269 0.78 PGR (0.36) PGRHDAC1HDAC2HDAC3HTR1D
SCHEMBL29649835 0.77 TDP2 (0.38) —
SCHEMBL31065872 0.77 TDP2 (0.38) —
SCHEMBL1419163 0.77 TDP2 (0.38) —

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-7902382-B2 Thiophene-containing compound and thiophene-containing compound polymer, organic electroluminescent device, production method thereof, and image display medium FUJI XEROX CO., LTD. (JP) 2011-03-08 — — US disclosed
US-20100137553-A1 Novel thiophene-containing compound and thiophene-containing compound polymer, organic electroluminescent device, production method thereof, and image display medium FUJI XEROX CO., LTD. (JP) 2010-06-03 — — US disclosed
Send feedback