SCHEMBL9208917

SCHEMBL9208917

CCCCCCCCCCCNC(CC)CCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.48
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 3/20 0.39
CNR1 P21554 1/20 0.39
ADRA1A P35348 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ADH1B P00325 2/20 0.38
ADH1C P00326 2/20 0.38
ADH1A P07327 2/20 0.38
ADH4 P08319 2/20 0.38
ADH7 P40394 2/20 0.38
ABCC3 O15438 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DNM1 Q05193 1/20 0.37
THRB P10828 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36

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
SCHEMBL9541689 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1LMNACNR1
SCHEMBL14625028 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1LMNACNR1
SCHEMBL9204346 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1LMNACNR1
SCHEMBL27800763 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1LMNACNR1
SCHEMBL9206251 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1LMNACNR1
SCHEMBL24353239 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1LMNACNR1
SCHEMBL11699658 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1LMNACNR1
SCHEMBL117250 0.95 EPHX1 (0.42) EPHX1TSHRLMNACNR1ADRA1A
SCHEMBL9213526 0.95 EPHX1 (0.42) EPHX1TSHRLMNACNR1ADRA1A
SCHEMBL9212478 0.95 EPHX1 (0.48) EPHX1TSHRALDH1A1LMNACNR1

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
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed