SCHEMBL28715980

SCHEMBL28715980

CCCc1ccc(OC2OC2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.37
▸ LPL P06858 2/20 0.37
▸ LIPG Q9Y5X9 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CALM1 P0DP23 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
SCHEMBL3874266 0.86 ESR1 (0.47) THRBALDH1A1LPLLIPGKMT2A
SCHEMBL8388851 0.84 PPARA (0.42) KMT2ACA2CALM1
SCHEMBL10945428 0.82 LMNA (0.39) ALDH1A1CA2
SCHEMBL24612949 0.76 KDM4E (0.39) ALDH1A1
SCHEMBL8435917 0.76 F2RL1 (0.46) ALDH1A1KMT2AMEN1
SCHEMBL19595693 0.76 SMN1; SMN2 (0.36) ALDH1A1RAB9A
SCHEMBL3458246 0.75 ADRB1 (0.47) KMT2AMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL11303274 0.74 CA1 (0.50) THRBALDH1A1KMT2ACA2RAB9A
SCHEMBL2893666 0.74 ESR1 (0.30) —
SCHEMBL14120101 0.74 TYR (0.68) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114096567-A Glycophospholipid polymer networks and uses thereof 鲍希与洛姆伯股份有限公司 2022-02-25 — — CN disclosed
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